Nonnegative Matrix Factorization (NMF) is a versatile and powerful tool for discovering latent structures in data matrices, with many variations proposed in the literature. Recently, Leplat et al. (2019) introduced a minimum-volume NMF for the identifiable recovery of rank-deficient matrices in the presence of noise. The performance of their formulation, however, requires the selection of a tuning parameter whose optimal value depends on the unknown noise level. In this work, we propose an alternative formulation of minimum-volume NMF inspired by the square-root lasso and its tuning-free properties. Our formulation also requires the selection of a tuning parameter, but its optimal value does not depend on the noise level. To fit our NMF model, we propose a majorization-minimization (MM) algorithm that comes with global convergence guarantees. We show empirically that the optimal choice of our tuning parameter is insensitive to the noise level in the data.

SUMMARY: Biclustering is a generalization of clustering used to identify simultaneous grouping patterns in observations (rows) and features (columns) of a data matrix. Recently, the biclustering task has been formulated as a convex optimization problem. While this convex recasting of the problem has attractive properties, existing algorithms do not scale well. To address this problem and make convex biclustering a practical tool for analyzing larger data, we propose an implementation of fast convex biclustering called COBRAC to reduce the computing time by iteratively compressing problem size along with the solution path. We apply COBRAC to several gene expression datasets to demonstrate its effectiveness and efficiency. Besides the standalone version for COBRAC, we also developed a related online web server for online calculation and visualization of the downloadable interactive results. AVAILABILITY AND IMPLEMENTATION: The source code and test data are available at https://github.com/haidyi/cvxbiclustr or https://zenodo.org/record/4620218. The web server is available at https://cvxbiclustr.ericchi.com. SUPPLEMENTARY INFORMATION: Supplementary data are available at Bioinformatics online.

Cluster analysis is a fundamental tool for pattern discovery of complex heterogeneous data. Prevalent clustering methods mainly focus on vector or matrix-variate data and are not applicable to general-order tensors, which arise frequently in modern scientific and business applications. Moreover, there is a gap between statistical guarantees and computational efficiency for existing tensor clustering solutions due to the nature of their non-convex formulations. In this work, we bridge this gap by developing a provable convex formulation of tensor co-clustering. Our convex co-clustering (CoCo) estimator enjoys stability guarantees and its computational and storage costs are polynomial in the size of the data. We further establish a non-asymptotic error bound for the CoCo estimator, which reveals a surprising “blessing of dimensionality” phenomenon that does not exist in vector or matrix-variate cluster analysis. Our theoretical findings are supported by extensive simulated studies. Finally, we apply the CoCo estimator to the cluster analysis of advertisement click tensor data from a major online company. Our clustering results provide meaningful business insights to improve advertising effectiveness.

We propose a new low-rank tensor factorization where one mode is coded as a sparse linear combination of elements from an over-complete library. Our method, Shape Constrained Tensor Decomposition (SCTD) is based upon the CANDECOMP/PARAFAC (CP) decomposition which produces r-rank approximations of data tensors via outer products of vectors in each dimension of the data. The SCTD model can leverage prior knowledge about the shape of factors along a given mode, for example in tensor data where one mode represents time. By constraining the vector in the temporal dimension to known analytic forms which are selected from a large set of candidate functions, more readily interpretable decompositions are achieved and analytic time dependencies discovered. The SCTD method circumvents traditional flattening techniques where an N-way array is reshaped into a matrix in order to perform a singular value decomposition. A clear advantage of the SCTD algorithm is its ability to extract transient and intermittent phenomena which is often difficult for SVD-based methods. We motivate the SCTD method using several intuitively appealing results before applying it on a real-world data set to illustrate the efficiency of the algorithm in extracting interpretable spatio-temporal modes. With the rise of data-driven discovery methods, the decomposition proposed provides a viable technique for analyzing multitudes of data in a more comprehensible fashion.

Representation learning is typically applied to only one mode of a data matrix, either its rows or columns. Yet in many applications, there is an underlying geometry to both the rows and the columns. We propose utilizing this coupled structure to perform co-manifold learning: uncovering the underlying geometry of both the rows and the columns of a given matrix, where we focus on a missing data setting. Our unsupervised approach consists of three components. We first solve a family of optimization problems to estimate a complete matrix at multiple scales of smoothness. We then use this collection of smooth matrix estimates to compute pairwise distances on the rows and columns based on a new multi-scale metric that implicitly introduces a coupling between the rows and the columns. Finally, we construct row and column representations from these multi-scale metrics. We demonstrate that our approach outperforms competing methods in both data visualization and clustering.

Estimation in generalized linear models (GLM) is complicated by the presence of constraints. One can handle constraints by maximizing a penalized log-likelihood. Penalties such as the lasso are effective in high dimensions but often lead to severe shrinkage. This paper explores instead penalizing the squared distance to constraint sets. Distance penalties are more flexible than algebraic and regularization penalties, and avoid the drawback of shrinkage. To optimize distance penalized objectives, we make use of the majorization-minimization principle. Resulting algorithms constructed within this framework are amenable to acceleration and come with global convergence guarantees. Applications to shape constraints, sparse regression, and rank-restricted matrix regression on synthetic and real data showcase the strong empirical performance of distance penalization, even under non-convex constraints.

The primary goal in cluster analysis is to discover natural groupings of objects. The field of cluster analysis is crowded with diverse methods that make special assumptions about data and address different scientific aims. Despite its shortcomings in accuracy, hierarchical clustering is the dominant clustering method in bioinformatics. Biologists find the trees constructed by hierarchical clustering visually appealing and in tune with their evolutionary perspective. Hierarchical clustering operates on multiple scales simultaneously. This is essential, for instance, in transcriptome data, where one may be interested in making qualitative inferences about how lower-order relationships like gene modules lead to higher-order relationships like pathways or biological processes. The recently developed method of convex clustering preserves the visual appeal of hierarchical clustering while ameliorating its propensity to make false inferences in the presence of outliers and noise. The solution paths generated by convex clustering reveal relationships between clusters that are hidden by static methods such as k-means clustering. The current paper derives and tests a novel proximal distance algorithm for minimizing the objective function of convex clustering. The algorithm separates parameters, accommodates missing data, and supports prior information on relationships. Our program CONVEXCLUSTER incorporating the algorithm is implemented on ATI and nVidia graphics processing units (GPUs) for maximal speed. Several biological examples illustrate the strengths of convex clustering and the ability of the proximal distance algorithm to handle high-dimensional problems. CONVEXCLUSTER can be freely downloaded from the UCLA Human Genetics web site at http://www.genetics.ucla.edu/software/.